SCHEMBL4144150

SCHEMBL4144150

CC(NCc1ccccn1)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 2/20 0.36
ENPP2 Q13822 1/20 0.35
CACNA2D1 P54289 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
HDAC1 Q13547 1/20 0.34
CCR1 P32246 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4149939 0.85 SCD (0.43) SCDALDH1A1TP53TSHR
SCHEMBL4148766 0.82 TP53 (0.41) ALDH1A1TP53MEN1KMT2AHDAC1
SCHEMBL14129953 0.81 SCD (0.53) SCDALDH1A1TP53
SCHEMBL4161758 0.81 TP53 (0.43) ALDH1A1TP53MEN1KMT2AHDAC1
Hydrochloric Acid SCHEMBL4318931 0.81 SCD (0.52) SCDALDH1A1TP53
SCHEMBL4152957 0.80 MEN1 (0.39) ALDH1A1TP53MEN1KMT2ATSHR
SCHEMBL4161830 0.79 TP53 (0.41) SMN1; SMN2ALDH1A1TP53MEN1KMT2A
SCHEMBL14129830 0.77 LMNA (0.40) SCDSMN1; SMN2ALDH1A1CACNA2D1MEN1
SCHEMBL4159457 0.76 TP53 (0.39) SMN1; SMN2ALDH1A1TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL4326181 0.76 LMNA (0.40) SCDSMN1; SMN2ALDH1A1CACNA2D1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US claimed
EP-1725554-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2006-11-29 EP claimed
WO-2005087766-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-09-22 WO claimed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP SCD 1776/4885SMN1; SMN2 3997/4885ALDH1A1 1315/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR SCD 1855/4885SMN1; SMN2 4046/4885ALDH1A1 1266/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.